N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C16H13Cl2NO3 — CID 175467717

IUPACN-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9(10-3-6-14(20)15(7-10)22-2)16(21)19-11-4-5-12(17)13(18)8-11/h3-8,20H,1H2,2H3,(H,19,21)
InChIKeyJHAKWWSEIXHVAZ-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.36
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 175467717) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID175467717
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9(10-3-6-14(20)15(7-10)22-2)16(21)19-11-4-5-12(17)13(18)8-11/h3-8,20H,1H2,2H3,(H,19,21)
InChIKeyJHAKWWSEIXHVAZ-UHFFFAOYSA-N
XLogP4.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 175204394
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
CID 135554180
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
N-(3,4-dichlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 4130040
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135419540
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 175467717) is N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is C=C(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)c(OC)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is JHAKWWSEIXHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-9(10-3-6-14(20)15(7-10)22-2)16(21)19-11-4-5-12(17)13(18)8-11/h3-8,20H,1H2,2H3,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 338.19 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175467717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).